Geometry & MOs

Info

ID:	351495
PubChem CID:	127280383
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-5.93
Dipole, Da:	5.97
IP(EA), eV:	-9.52(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-[2-[4-(2-pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations